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309285-78-7 | 2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole
CAS No: 309285-78-7 Catalog No: AG00IQMY MDL No:MFCD01626226
Product Description
Catalog Number:
AG00IQMY
Chemical Name:
2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole
CAS Number:
309285-78-7
Molecular Formula:
C18H19N3O2S2
Molecular Weight:
373.4924
MDL Number:
MFCD01626226
IUPAC Name:
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
InChI:
InChI=1S/C18H19N3O2S2/c1-14-6-8-15(9-7-14)25(22,23)21-12-10-20(11-13-21)18-19-16-4-2-3-5-17(16)24-18/h2-9H,10-13H2,1H3
InChI Key:
IWUMRGAIJYASLP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.092g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.489g/mol
Monoisotopic Mass:
373.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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